X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation

EMBO J. 2001 Nov 1;20(21):5822-31. doi: 10.1093/emboj/20.21.5822.

Abstract

The retinoic acid-related orphan receptor beta (RORbeta) exhibits a highly restricted neuronal-specific expression pattern in brain, retina and pineal gland. So far, neither a natural RORbeta target gene nor a functional ligand have been identified, and the physiological role of the receptor is not well understood. We present the crystal structure of the ligand-binding domain (LBD) of RORbeta containing a bound stearate ligand and complexed with a coactivator peptide. In the crystal, the monomeric LBD adopts the canonical agonist-bound form. The fatty acid ligand-coactivator peptide combined action stabilizes the transcriptionally active conformation. The large ligand-binding pocket is strictly hydrophobic on the AF-2 side and more polar on the beta-sheet side where the carboxylate group of the ligand binds. Site-directed mutagenesis experiments validate the significance of the present structure. Homology modeling of the other isotypes will help to design isotype-selective agonists and antagonists that can be used to characterize the physiological functions of RORs. In addition, our crystallization strategy can be extended to other orphan nuclear receptors, providing a powerful tool to delineate their functions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Binding Sites / physiology
  • Crystallography, X-Ray
  • Histone Acetyltransferases
  • Ligands
  • Macromolecular Substances
  • Models, Molecular*
  • Molecular Sequence Data
  • Mutagenesis, Site-Directed
  • Nuclear Receptor Coactivator 1
  • Nuclear Receptor Subfamily 1, Group F, Member 2
  • Peptide Fragments / chemistry*
  • Peptide Fragments / metabolism
  • Protein Conformation
  • Protein Structure, Tertiary / physiology
  • Rats
  • Receptors, Cell Surface / chemistry*
  • Receptors, Cell Surface / physiology
  • Receptors, Cytoplasmic and Nuclear*
  • Sequence Alignment
  • Sequence Homology, Amino Acid
  • Stearic Acids / chemistry*
  • Structure-Activity Relationship
  • Transcription Factors / chemistry*

Substances

  • Ligands
  • Macromolecular Substances
  • Nuclear Receptor Subfamily 1, Group F, Member 2
  • Peptide Fragments
  • Receptors, Cell Surface
  • Receptors, Cytoplasmic and Nuclear
  • Stearic Acids
  • Transcription Factors
  • stearic acid
  • Histone Acetyltransferases
  • Nuclear Receptor Coactivator 1